Vitas-M small molecule compound

2-{[4-amino-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-2-yl]amino}ethanol

Catalog ID
STK556625
SMILES OCCNc1nc(N2CCN(CC2)CC)c(c(n1)N)[N+](=O)[O-]

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C12H21N7O3 MW 311.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H21N7O3/c1-2-17-4-6-18(7-5-17)11-9(19(21)22)10(13)15-12(16-11)14-3-8-20/h20H,2-8H2,1H3,(H3,13,14,15,16)
InChIKey
OQEQGJIHXTULMM-UHFFFAOYSA-N
Synonyms
577770-00-4
2((4amino6(4ethylpiperazin1yl)5nitropyrimidin2yl)amino)ethanol
2((4AMINO6(4ETHYLPIPERAZINYL)5NITROPYRIMIDIN2YL)AMINO)ETHAN1OL
577770004
CCN1CCN(CC1)C2=C(C(=NC(=N2)NCCO)N)(N+)(=O)(O)
InChI=1SC12H21N7O3c12174618(7517)119(19(21)22)10(13)1512(1611)143820h20H28H21H3(H313141516)
MFCD04019335
OCCNc1nc(N2CCN(CC2)CC)c(c(n1)N)(N+)(=O)(O)
ZINC000004305992
ZINC4305992

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.